Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.4448   -0.0322   -0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -0.6747   -1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945   -0.1392   -0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -0.6718   -0.6107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334    0.0752    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640    1.1727    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7319    2.0885    1.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425    0.9912    0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -0.8605    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1784    0.5614   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    0.8433   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541   -0.3983   -1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -1.5600   -1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467   -1.6345    0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6202   -1.3692    1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -0.3341    1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0601   -0.0779   -0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817    0.3927   -1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    1.6274   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers